piperidine;bis(prop-2-enamide)

C11H21N3O2 — CID 22492632

IUPACpiperidine;bis(prop-2-enamide)
SMILESC1CCNCC1.C=CC(N)=O.C=CC(N)=O
InChIInChI=1S/C5H11N.2C3H5NO/c1-2-4-6-5-3-1;2*1-2-3(4)5/h6H,1-5H2;2*2H,1H2,(H2,4,5)
InChIKeyBBIACDIGHSCLCX-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.08
Rot. Bonds2

About piperidine;bis(prop-2-enamide)

piperidine;bis(prop-2-enamide) (PubChem CID 22492632) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is piperidine;bis(prop-2-enamide).

Molecular Properties

Compound Namepiperidine;bis(prop-2-enamide)
PubChem CID22492632
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Namepiperidine;bis(prop-2-enamide)
SMILESC1CCNCC1.C=CC(N)=O.C=CC(N)=O
InChIInChI=1S/C5H11N.2C3H5NO/c1-2-4-6-5-3-1;2*1-2-3(4)5/h6H,1-5H2;2*2H,1H2,(H2,4,5)
InChIKeyBBIACDIGHSCLCX-UHFFFAOYSA-N
XLogP0.08
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of piperidine;bis(prop-2-enamide)?
The IUPAC name of piperidine;bis(prop-2-enamide) (CID 22492632) is piperidine;bis(prop-2-enamide).
What is the SMILES notation for piperidine;bis(prop-2-enamide)?
The canonical SMILES for piperidine;bis(prop-2-enamide) is C1CCNCC1.C=CC(N)=O.C=CC(N)=O.
What is the InChIKey of piperidine;bis(prop-2-enamide)?
The InChIKey is BBIACDIGHSCLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N.2C3H5NO/c1-2-4-6-5-3-1;2*1-2-3(4)5/h6H,1-5H2;2*2H,1H2,(H2,4,5).
What are the key properties of piperidine;bis(prop-2-enamide)?
piperidine;bis(prop-2-enamide) has a molecular weight of 227.31 g/mol, XLogP of 0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine;bis(prop-2-enamide) is sourced from PubChem (CID 22492632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).